2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum

C33H30N3O2Pt- — CID 171579711

IUPAC2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
SMILESCOc1cc(-c2ccc3c(C(C)C)ccc(O)c3n2)[c-]c2c1C(C)(C)c1ccccc1N2c1ccccn1.[Pt]
InChIInChI=1S/C33H30N3O2.Pt/c1-20(2)22-14-16-28(37)32-23(22)13-15-25(35-32)21-18-27-31(29(19-21)38-5)33(3,4)24-10-6-7-11-26(24)36(27)30-12-8-9-17-34-30;/h6-17,19-20,37H,1-5H3;/q-1;
InChIKeyQGSURAGAZXLJTM-UHFFFAOYSA-N
MW695.70 g/mol
LogP8.04
Rot. Bonds4

About 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum

2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum (PubChem CID 171579711) has the molecular formula C33H30N3O2Pt- and a molecular weight of 695.70 g/mol. Its IUPAC name is 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum.

Molecular Properties

Compound Name2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
PubChem CID171579711
Molecular FormulaC33H30N3O2Pt-
Molecular Weight695.70 g/mol
Exact Mass695.20
IUPAC Name2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
SMILESCOc1cc(-c2ccc3c(C(C)C)ccc(O)c3n2)[c-]c2c1C(C)(C)c1ccccc1N2c1ccccn1.[Pt]
InChIInChI=1S/C33H30N3O2.Pt/c1-20(2)22-14-16-28(37)32-23(22)13-15-25(35-32)21-18-27-31(29(19-21)38-5)33(3,4)24-10-6-7-11-26(24)36(27)30-12-8-9-17-34-30;/h6-17,19-20,37H,1-5H3;/q-1;
InChIKeyQGSURAGAZXLJTM-UHFFFAOYSA-N
XLogP8.04
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.70
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-(4-methoxy-5-methyl-10-pyridin-2-ylphenazin-2-yl)-5-propan-2-ylquinolin-8-ol
CID 171579824
2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-phenylquinolin-8-ol;platinum
CID 171580341
2-(8-isocyano-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171580358
7-(4-tert-butylphenyl)-2-(9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171579713
5-(2,6-dimethylphenyl)-2-(10-pyridin-2-ylspiro[4H-acridin-4-ide-9,9'-fluorene]-3-yl)quinolin-8-ol;platinum
CID 171579845
2-(4-tert-butyl-5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]quinolin-8-ol;platinum
CID 171580321
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-8-hydroxyquinoline-5-carbonitrile;platinum
CID 171580065
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771
7-ethyl-2-(5-methyl-10-pyridin-2-yl-1H-phenazin-1-id-2-yl)-5-propan-2-ylquinolin-8-ol;platinum
CID 171580161
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-1,6-naphthyridin-8-ol;platinum
CID 171580040

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum?
The IUPAC name of 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum (CID 171579711) is 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum.
What is the SMILES notation for 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum?
The canonical SMILES for 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum is COc1cc(-c2ccc3c(C(C)C)ccc(O)c3n2)[c-]c2c1C(C)(C)c1ccccc1N2c1ccccn1.[Pt].
What is the InChIKey of 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum?
The InChIKey is QGSURAGAZXLJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N3O2.Pt/c1-20(2)22-14-16-28(37)32-23(22)13-15-25(35-32)21-18-27-31(29(19-21)38-5)33(3,4)24-10-6-7-11-26(24)36(27)30-12-8-9-17-34-30;/h6-17,19-20,37H,1-5H3;/q-1;.
What are the key properties of 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum?
2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum has a molecular weight of 695.70 g/mol, XLogP of 8.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-id-3-yl)-5-propan-2-ylquinolin-8-ol;platinum is sourced from PubChem (CID 171579711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).